(2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol

C21H27NO — CID 10566865

IUPAC(2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
InChIKeyBVGDNYUHGIMUDM-NHCUHLMSSA-N
MW309.45 g/mol
LogP4.57
Rot. Bonds6

About (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol

(2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 10566865) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol
PubChem CID10566865
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
InChIKeyBVGDNYUHGIMUDM-NHCUHLMSSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol (CID 10566865) is (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol is CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is BVGDNYUHGIMUDM-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol?
(2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 309.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(dipropylamino)-3-phenyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 10566865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).